(E)-2-bromo-4-methylidenehept-2-ene

C8H13Br — CID 139476034

IUPAC(E)-2-bromo-4-methylidenehept-2-ene
SMILESC=C(/C=C(\C)Br)CCC
InChIInChI=1S/C8H13Br/c1-4-5-7(2)6-8(3)9/h6H,2,4-5H2,1,3H3/b8-6+
InChIKeyKXKSRTCENFYWDK-SOFGYWHQSA-N
MW189.10 g/mol
LogP3.64
Rot. Bonds3

About (E)-2-bromo-4-methylidenehept-2-ene

(E)-2-bromo-4-methylidenehept-2-ene (PubChem CID 139476034) has the molecular formula C8H13Br and a molecular weight of 189.10 g/mol. Its IUPAC name is (E)-2-bromo-4-methylidenehept-2-ene.

Molecular Properties

Compound Name(E)-2-bromo-4-methylidenehept-2-ene
PubChem CID139476034
Molecular FormulaC8H13Br
Molecular Weight189.10 g/mol
Exact Mass188.02
IUPAC Name(E)-2-bromo-4-methylidenehept-2-ene
SMILESC=C(/C=C(\C)Br)CCC
InChIInChI=1S/C8H13Br/c1-4-5-7(2)6-8(3)9/h6H,2,4-5H2,1,3H3/b8-6+
InChIKeyKXKSRTCENFYWDK-SOFGYWHQSA-N
XLogP3.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.10
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(2Z,4Z)-3-ethyl-4-methyl-6-methylidenenona-2,4-diene
CID 171555067
ethane;(3Z)-2-methyl-5-methylideneocta-1,3-diene
CID 143257359
CID 171375325
CID 171375325
2-methyl-6-methylidenenona-1,4-diene
CID 90971129
(1E,3Z)-1-bromo-4-methyl-5-methylideneocta-1,3-diene
CID 146617133
(E)-4-bromo-N-but-1-en-2-ylpent-3-en-2-imine
CID 118449989
(E)-6-methylidenenon-4-ene
CID 14364497
methane;hexakis(2-methylpent-1-ene)
CID 175346690
(Z)-2-methyl-5-methylideneoct-3-ene
CID 143255945
ethane;(3E)-4-ethyl-2-methylhepta-1,3-diene
CID 168939588
(5Z)-5,7-dimethylocta-5,7-dien-4-imine
CID 135190093
(2Z,4Z)-4-methyl-6-methylidenedeca-2,4-diene
CID 142960534

Frequently Asked Questions

What is the IUPAC name of (E)-2-bromo-4-methylidenehept-2-ene?
The IUPAC name of (E)-2-bromo-4-methylidenehept-2-ene (CID 139476034) is (E)-2-bromo-4-methylidenehept-2-ene.
What is the SMILES notation for (E)-2-bromo-4-methylidenehept-2-ene?
The canonical SMILES for (E)-2-bromo-4-methylidenehept-2-ene is C=C(/C=C(\C)Br)CCC.
What is the InChIKey of (E)-2-bromo-4-methylidenehept-2-ene?
The InChIKey is KXKSRTCENFYWDK-SOFGYWHQSA-N. The full InChI is InChI=1S/C8H13Br/c1-4-5-7(2)6-8(3)9/h6H,2,4-5H2,1,3H3/b8-6+.
What are the key properties of (E)-2-bromo-4-methylidenehept-2-ene?
(E)-2-bromo-4-methylidenehept-2-ene has a molecular weight of 189.10 g/mol, XLogP of 3.64, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-bromo-4-methylidenehept-2-ene is sourced from PubChem (CID 139476034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).